Details of the Probe

General Information of Probe

Probe ID	LDPC0652
Probe Name	CCW36
Probe Type	ABPP Probe
Structure
Structure	2D MOL
Ro5 Violations (Lipinski): 1	Molecular Weight (mw)	405.881
	Lipid-water partition coefficient (xlogp)	5.2629
	Rotatable Bond Count (rotbonds)	8
	Hydrogen Bond Donor Count (hbonddonor)	0
	Hydrogen Bond Acceptor Count (hbondacc)	3
Chemical Identifiers	Formula C24H20ClNO3 Canonical SMILES C#CCOc1ccc(Oc2ccc(N(Cc3ccccc3)C(=O)CCl)cc2)cc1 InChI InChI=1S/C24H20ClNO3/c1-2-16-28-21-12-14-23(15-13-21)29-22-10-8-20(9-11-22)26(24(27)17-25)18-19-6-4-3-5-7-19/h1,3-15H,16-18H2 InChIKey KWQKWRNWTIMIIN-UHFFFAOYSA-N

The Probe Interaction Atlas

Target(s) List of this Probe

4 Enzyme Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Heme oxygenase 2 (HMOX2)	LDTP03540	3.65	LDD2215
Phospholipid hydroperoxide glutathione peroxidase GPX4 (GPX4)	LDTP03831	6.35	LDD2215
Prostaglandin E synthase 2 (PTGES2)	LDTP12040	2.35	LDD2215
Sterol carrier protein 2 (SCP2)	LDTP03163	5.09	LDD2215
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3 Other Labeled by This Probe

Target Name	Target ID	Binding Site(Ratio)	Interaction ID
Peroxiredoxin-like 2A (PRXL2A)	LDTP11140	10.24	LDD2215
Reticulon-3 (RTN3)	LDTP01522	1.97	LDD2215
Selenoprotein K (SELENOK)	LDTP14236	3.73	LDD2215
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Competitor(s) Related To This Probe

Competitor ID	Name	Concentration		Cell-system	Ref
LDCM0631	CCW16	20 uM		Human breast cancer cell lysate (231MFP)	[1]

Full Information of The Labelling Profiles of This Probe

Quantification: Probe vs (Probe+Competitor)

Experiment 1 Reporting the Labelling Profiles of This Probe

REF [1]

Probe concentration

1 uM

Quantitative Method

TMT

Competitor Name

CCW16

Competitor Concentration

20 uM

In Vitro Experiment Model

Model Type

Cell lysate

Derived Tissue

Breast

Disease Model

Breast cancer [ICD-11:2C82]

Model Name

Human breast cancer cell lysate (231MFP)

Interaction Atlas ID

LDD2215

References

1	Covalent Ligand Screening Uncovers a RNF4 E3 Ligase Recruiter for Targeted Protein Degradation Applications. ACS Chem Biol. 2019 Nov 15;14(11):2430-2440. doi: 10.1021/acschembio.8b01083. Epub 2019 May 13.